6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one bromide

Systemtic Name: 6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-4-methyl-7-oxidanyl-chromen-2-one bromide Openeye Name: 6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-methyl-chromen-2-one bromide CAS Name: 6-ethyl-8-[(2-ethyl-1-piperidin-1-iumyl)methyl]-7-hydroxy-4-methyl-1-benzopyran-2-one bromide IUPAC Name: 6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-methylchromen-2-one bromide Traditional Name: 6-ethyl-8-[(2-ethylpiperidin-1-ium-1-yl)methyl]-7-hydroxy-4-methyl-coumarin bromide Formula: C20H28BrNO3 MolecularWeight: 410.34522

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=CC(=O)O3)C.[Br-]

Isomeric SMILES

CCC1CCCC[NH+]1CC2=C3C(=CC(=C2O)CC)C(=CC(=O)O3)C.[Br-]

InChI

InChI=1S/C20H27NO3.BrH/c1-4-14-11-16-13(3)10-18(22)24-20(16)17(19(14)23)12-21-9-7-6-8-15(21)5-2;/h10-11,15,23H,4-9,12H2,1-3H3;1H